./iterations/neb0_image08_iter127_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374433112853E+03 0.37443E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.317047241293E+01 -0.37126E+03 -0.35845E+03 869 0.196E+02
DAV: 3 -0.967381974097E+02 -0.99909E+02 -0.99569E+02 677 0.117E+02
DAV: 4 -0.101141168208E+03 -0.44030E+01 -0.43924E+01 704 0.278E+01
DAV: 5 -0.101228758626E+03 -0.87590E-01 -0.87556E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926171581930E+02 0.86116E+01 -0.30836E+01 714 0.302E+01 0.118E+01
DAV: 7 -0.917600560248E+02 0.85710E+00 -0.16999E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913832476962E+02 0.37681E+00 -0.55642E-01 712 0.402E+00 0.162E+00
DAV: 9 -0.913010923446E+02 0.82155E-01 -0.13016E-01 720 0.156E+00 0.424E-01
DAV: 10 -0.912921591778E+02 0.89332E-02 -0.45336E-02 728 0.111E+00 0.302E-01
DAV: 11 -0.912970427099E+02 -0.48835E-02 -0.13883E-02 605 0.607E-01 0.158E-01
DAV: 12 -0.912998517848E+02 -0.28091E-02 -0.28571E-03 631 0.254E-01 0.107E-01
DAV: 13 -0.913033085064E+02 -0.34567E-02 -0.14898E-03 663 0.203E-01 0.478E-02
DAV: 14 -0.913068090303E+02 -0.35005E-02 -0.87055E-04 648 0.198E-01 0.397E-02
DAV: 15 -0.913080795844E+02 -0.12706E-02 -0.27912E-04 680 0.104E-01 0.392E-02
DAV: 16 -0.913091286480E+02 -0.10491E-02 -0.28132E-04 664 0.962E-02 0.163E-02
DAV: 17 -0.913098106008E+02 -0.68195E-03 -0.82426E-05 653 0.496E-02 0.146E-02
DAV: 18 -0.913100720983E+02 -0.26150E-03 -0.41157E-05 600 0.341E-02 0.110E-02
DAV: 19 -0.913101925023E+02 -0.12040E-03 -0.19584E-05 464 0.239E-02 0.566E-03
DAV: 20 -0.913102245062E+02 -0.32004E-04 -0.68482E-06 464 0.133E-02 0.330E-03
DAV: 21 -0.913102470206E+02 -0.22514E-04 -0.54660E-06 412 0.157E-02 0.193E-03
DAV: 22 -0.913102543861E+02 -0.73655E-05 -0.21178E-06 464 0.679E-03
1 F= -.91310254E+02 E0= -.91315269E+02 d E =0.150438E-01